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Our aim was to describe shifts in autumn and winter harvest distributions of three species of dabbling ducks (blue-winged teal [ Spatula discors ], mallard [ Anas platyrhynchos ], and northern pintail [ Anas acuta ]) in the Central and Mississippi flyways of North America during 1960-2019. We measured shifts in band recovery distributions corrected for changes in hunting season dates and zones by using kernel density estimators to calculate 10 distributional metrics. We then assessed interannual and intraspecific variation by comparing species-specific changes in distributional metrics for 4 months (October-January) and three geographically based subpopulations. During 1960-2019, band recovery distributions shifted west- and southwards (blue-winged teal) or east- and northwards (mallard and northern pintail) by one hundred to several hundred kilometers. For all three species, the broad (95% isopleth) and core distributions (50% isopleth) showed widespread decreases in overlap and increases in relative area compared to a 1960-1979 baseline period. Shifts in band recovery distributions varied by month, with southward shifts for blue-winged teal most pronounced in October and northward shifts for mallard and northern pintail greatest during December and January. Finally, distributional metric response varied considerably among mallard subpopulations, including 2-4-fold differences in longitude, latitude, and overlap, whereas differences among subpopulations were minimal for blue-winged teal and northern pintail. Our findings support the popular notion that winter (December-January) distributions of duck species have shifted north; however, the extent and direction of distributional changes vary among species and subpopulations. Long-term distributional changes are therefore complex and summarizing shifts across species, months, or subpopulations could mask underlying finer-scale patterns that are important to habitat conservation and population management. A detailed understanding of how species distributions have changed over time will help quantify important drivers of species occurrence, identify habitat management options, and could inform decisions on where to focus conservation or restoration efforts., Competing Interests: There are no conflicts of interest that we know of for this manuscript., (© 2024 The Authors. Ecology and Evolution published by John Wiley & Sons Ltd. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.)

Thermoregulation is critical for endotherms living in hot, dry conditions, and maintaining optimal core body temperature ( T b ) in a changing climate is an increasingly challenging task for mammals. Koalas ( Phascolarctos cinereus ) have evolved physiological and behavioural strategies to maintain homeostasis and regulate their T b but are thought to be vulnerable to prolonged heat. We investigated how weather, behaviour and disease influence T b for wild, free-living koalas during summer in north-west New South Wales. We matched T b with daily behavioural observations in an ageing population where chlamydial disease is prevalent. Each individual koala had similar T b rhythms (average T b  = 36.4 ± 0.05°C), but male koalas had higher T b amplitude and more pronounced daily rhythm than females. Disease disrupted the 24-hr circadian pattern of T b . Koala T b increased with ambient temperature ( T a ). On the hottest day of the study (maximum T a  = 40.8°C), we recorded the highest ( T b  = 40.8°C) but also the lowest ( T b  = 32.4°C) T b ever documented for wild koalas, suggesting that they are more heterothermic than previously recognized. This requires individuals to predict days of extreme T a from overnight and early morning conditions, adjusting T b regulation accordingly, and it has never been reported before for koalas. The large diel amplitude and low minimum T b observed suggest that koalas at our study site are energetically and nutritionally compromised, likely due to their age. Behaviour (i.e. tree hugging and drinking water) was not effective in moderating T b . These results indicate that T a and koala T b are strongly interconnected and reinforce the importance of climate projections for predicting the future persistence of koalas throughout their current distribution. Global climate models forecast that dry, hot weather will continue to escalate and drought events will increase in frequency, duration and severity. This is likely to push koalas and other arboreal folivores towards their thermal limit., (© Crown copyright 2024.)

Kinetics of force-mediated chemical reactions of end-tethered polymers with varying chain length N in varying shear rate flow γ̇ are explored via coarse-grained Brownian dynamics simulations. At fixed γ̇, force F along a polymer increases linearly with N as previously predicted; however, contrary to existing theory, the F(N) slope increases for N above a transition length that exhibits minimal dependence on γ̇. Force profiles are used in a stochastic model of a force-mediated reaction to compute the time for x percent of a polymer population to experience a reaction, tx. Observations are insensitive to the selected value of x in that tx data for varying N and γ̇ can be consistently collapsed onto a single curve via appropriate scaling, with one master curve for systems below the transition N (small N) and another for those above (large N). Different force scaling for small and large N results in orders of magnitude difference in force-mediated reaction kinetics as represented by the population response time. Data presented illustrate the possibility of designing mechano-reactive polymer populations with highly controlled response to flow across a range in γ̇., (© 2023 Author(s). Published under an exclusive license by AIP Publishing.)

Agrochemicals including neonicotinoid insecticides and fungicides are frequently applied as seed treatments on corn, soybeans, and other common row crops. Crops grown from pesticide-treated seed are often directly planted in managed floodplain wetlands and used as a soil disturbance or food resource for wildlife. We quantified invertebrate communities within mid-latitude floodplain wetlands and assessed their response to use of pesticide-treated seeds within the floodplain. We collected and tested aqueous and sediment samples for pesticides in addition to sampling aquatic invertebrates from 22 paired wetlands. Samples were collected twice in 2016 (spring [pre-water level drawdown] and autumn [post-water level flood-up]) followed by a third sampling period (spring 2017). Meanwhile, during the summer of 2016, a portion of study wetlands were planted with either pesticide-treated or untreated corn seed. Neonicotinoid toxic equivalencies (NI-EQs) for sediment (X̅ = 0.58 μg/kg), water (X̅ = 0.02 μg/L), and sediment fungicide concentrations (X̅ = 0.10 μg/kg) were used to assess potential effects on wetland invertebrates. An overall decrease in aquatic insect richness and abundance was associated with greater NI-EQs in wetland water and sediments, as well as with sediment fungicide concentration. Post-treatment, treated wetlands displayed a decrease in insect taxa-richness and abundance before recovering by the spring of 2017. Information on timing and magnitude of aquatic insect declines will be useful when considering the use of seed treatments for wildlife management. More broadly, this study brings attention to how agriculture is used in wetland management and conservation planning., (© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Background: The timing of autumn migration in ducks is influenced by a range of environmental conditions that may elicit individual experiences and responses from individual birds, yet most studies have investigated relationships at the population level. We used data from individual satellite-tracked mallards (Anas platyrhynchos) to model the timing and environmental drivers of autumn migration movements at a continental scale., Methods: We combined two sets of location records (2004-2007 and 2010-2011) from satellite-tracked mallards during autumn migration in the Mississippi Flyway, and identified records that indicated the start of long-range (≥ 30 km) southward movements during the migration period. We modeled selection of departure date by individual mallards using a discrete choice model accounting for heterogeneity in individual preferences. We developed candidate models to predict the departure date, conditional on daily mean environmental covariates (i.e. temperature, snow and ice cover, wind conditions, precipitation, cloud cover, and pressure) at a 32 × 32 km resolution. We ranked model performance with the Bayesian Information Criterion., Results: Departure was best predicted (60% accuracy) by a "winter conditions" model containing temperature, and depth and duration of snow cover. Models conditional on wind speed, precipitation, pressure variation, and cloud cover received lower support. Number of days of snow cover, recently experienced snow cover (snow days) and current snow cover had the strongest positive effect on departure likelihood, followed by number of experienced days of freezing temperature (frost days) and current low temperature. Distributions of dominant drivers and of correct vs incorrect prediction along the movement tracks indicate that these responses applied throughout the latitudinal range of migration. Among recorded departures, most were driven by snow days (65%) followed by current temperature (30%)., Conclusions: Our results indicate that among the tested environmental parameters, the dominant environmental driver of departure decision in autumn-migrating mallards was the onset of snow conditions, and secondarily the onset of temperatures close to, or below, the freezing point. Mallards are likely to relocate southwards quickly when faced with snowy conditions, and could use declining temperatures as a more graduated early cue for departure. Our findings provide further insights into the functional response of mallards to weather factors during the migration period that ultimately determine seasonal distributions., (© 2021. The Author(s).)

Wild bees support global agroecosystems via pollination of agricultural crops and maintaining diverse plant communities. However, with an increased reliance on pesticides to enhance crop production, wild bee communities may inadvertently be affected through exposure to chemical residues. Laboratory and semi-field studies have demonstrated lethal and sublethal effects of neonicotinoids on limited genera (e.g., Apis, Bombus, Megachile), yet full field studies evaluating impacts to wild bee communities remain limited. Here, we conducted a two-year field study to assess whether neonicotinoid seed treatment and presence in environmental media (e.g., soil, flowers) influenced bee nest and diet guild abundance and richness. In 2017 and 2018, we planted 23 Missouri agricultural fields to soybeans (Glycine max) using one of three seed treatments: untreated (no insecticide), treated (imidacloprid), or previously-treated (untreated, but neonicotinoid use prior to 2017). During both years, wild bees were collected in study field margins monthly (May to September) in tandem with soil and flowers from fields and field margins that were analyzed for neonicotinoid residues. Insecticide presence in soils and flowers varied over the study with neonicotinoids infrequently detected in both years within margin flowers (0%), soybean flowers (<1%), margin soils (<8%), and field soils (~39%). Wild bee abundance and species richness were not significantly different among field treatments. In contrast, neonicotinoid presence in field soils was associated with significantly lower richness (ground- and aboveground-nesting, diet generalists) of wild bee guilds. Our findings support that soil remains an underexplored route of exposure and long-term persistence of neonicotinoids in field soils may lead to reduced diversity in regional bee communities. Future reduction or elimination of neonicotinoid seed treatment use on areas managed for wildlife may facilitate conservation goals to sustain viable, diverse wild bee populations., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Published by Elsevier B.V.)

Wildlife and human health are at risk of lead exposure from spent hunting ammunition. Lead exposure persists for bald eagles due to bullet fragments in game animal gut piles and unretrieved carcasses, and is also a human health risk when wild game is procured using lead ammunition. Programs encouraging the voluntary use of nonlead ammunition have become a popular approach mitigating these effects. This study explored attitudes and experiences of United States Fish and Wildlife Service (USFWS) staff implementing an outreach program encouraging deer hunters to voluntary use nonlead ammunition on 54 National Wildlife Refuges (NWRs) in the Upper Midwest, U.S. to understand factors affecting program implementation. We conducted 29 semi-structured interviews of USFWS staff along with 60 responses from an open-ended survey question. Twelve themes emerged from the data and were grouped into three broad categories: (1) challenges of dealing with complex issues, (2) importance of messengers and messages, and (3) resistance from staff. Challenges of dealing with complex issues included administrative restraint and uncertainty, scope and scale of program, human health not an agency responsibility, contextual political influences, and public-private collaborations. Importance of messengers and messages included the importance of experience, and salience of human health risk. Finally, resistance from staff included skepticism of the science and motives behind the program, competing priorities for refuge staff, differing perceptions of regulatory and voluntary approaches, cost and availability of nonlead ammunition, and disregard by some about lead ammunition and human health risks. Staff identified numerous challenges implementing the program, many of which were external factors beyond the control of the participants. Understanding the factors affecting program implementation may help guide future efforts encouraging the voluntary use of nonlead ammunition., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

Neonicotinoid pesticides can persist in soils for extended time periods; however, they also have a high potential to contaminate ground and surface waters. Studies have reported negative effects associated with neonicotinoids and nontarget taxa, including aquatic invertebrates, pollinating insect species, and insectivorous birds. This study evaluated factors associated with clothianidin (CTN) degradation and sorption in Missouri wetland soils to assess the potential for wetland soils to mitigate potential environmental risks associated with neonicotinoids. Solid-to-solution partition coefficients (K d ) for CTN sorption to eight wetland soils were determined via single-point sorption experiments, and sorption isotherm experiments were conducted using the two most contrasting soils. Clothianidin degradation was determined under oxic and anoxic conditions over 60 d. Degradation data were fit to zero- and first-order kinetic decay models to determine CTN half-life (t 0.5 ). Sorption results indicated CTN sorption to wetland soil was relatively weak (average K d , 3.58 L kg -1 ); thus, CTN has the potential to be mobile and bioavailable within wetland soils. However, incubation results showed anoxic conditions significantly increased CTN degradation rates in wetland soils (anoxic average t 0.5 , 27.2 d; oxic average t 0.5 , 149.1 d). A significant negative correlation was observed between anoxic half-life values and soil organic C content (r 2  = .782; p = .046). Greater CTN degradation rates in wetland soils under anoxic conditions suggest that managing wetlands to facilitate anoxic conditions could mitigate CTN presence in the environment and reduce exposure to nontarget organisms., (© 2020 The Authors. Journal of Environmental Quality published by Wiley Periodicals LLC on behalf of American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America.)

Pesticide exposure is a growing global concern for pollinator conservation. While most current pesticide studies have specifically focused on the impacts of neonicotinoid insecticides toward honeybees and some native bee species, wild pollinators may be exposed to a broader range of agrochemicals. In 2016 and 2017 we collected a total of 637 wild bees and butterflies from the margins of cultivated agricultural fields situated on five Conservation Areas in mid-northern Missouri. Pollinators were composited by individual genera (90 samples) and whole tissues were then analyzed for the presence of 168 pesticides and degradation products. At least one pesticide was detected (% frequency) in the following wild bee genera: Bombus (96%), Eucera (75%), Melissodes (73%), Ptilothrix (50%), Xylocopa (50%), and Megachile (17%). Similarly, at least one pesticide was detected in the following lepidopteran genera: Hemaris (100%), Hylephila (75%), Danaus (60%), and Colias (50%). Active ingredients detected in >2% of overall pollinator samples were as follows: metolachlor (24%), tebuconazole (22%), atrazine (18%), imidacloprid desnitro (13%), bifenthrin (9%), flumetralin (9%), p, p'-DDD (6%), tebupirimfos (4%), fludioxonil (4%), flutriafol (3%), cyproconazole (2%), and oxadiazon (2%). Concentrations of individual pesticides ranged from 2 to 174 ng/g. Results of this pilot field study indicate that wild pollinators are exposed to and are potentially bioaccumulating a wide variety of pesticides in addition to neonicotinoids. Here, we provide evidence that wild bee and butterfly genera may face exposure to a wide range of insecticides, fungicides, and herbicides despite being collected from areas managed for conservation. Therefore, even with the presence of extensive habitat, minimal agricultural activity on Conservation Areas may expose pollinators to a range of pesticides., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Published by Elsevier B.V.)

Neonicotinoid insecticides are highly water soluble with relatively long half-lives, which allows them to move into and persist in aquatic ecosystems. However, little is known of the impacts of neonicotinoids on non-target vertebrates, especially at sublethal concentrations. We evaluated the effects of the neonicotinoid clothianidin on the behavior of southern leopard frog tadpoles (Rana sphenocephala) after a 96-h exposure at 6 concentrations, including 0 (control), 0.375, 0.75, 1.5, 3.0, 6.0 µg/L. We quantified total displacement, mean velocity, maximum velocity, and time spent moving of tadpoles for 1 h post-exposure. Total displacement and mean velocity of tadpoles decreased with clothianidin exposure. Maximum velocity decreased linearly with concentration, but there was no relationship between time spent moving and clothianidin concentration. Our results suggest exposure to clothianidin at sublethal concentrations can affect movement behavior of non-target organisms such as tadpoles.

The von Willebrand Factor (vWF) is a large blood glycoprotein that aids in hemostasis. Within each vWF monomer, the A2 domain hosts a cleavage site for enzyme ADAMTS13, which regulates the size of vWF multimers. This cleavage site can only be exposed when an A2 domain unfolds, and the unfolding reaction energy landscape is highly sensitive to the force conditions on the domain. Based on previous optical tweezer experimental results, we advance here a new activated A2 monomer model (AA2MM) for coarse-grained modeling of vWF that accurately represents the force-based probabilistic change between the unfolded/refolded states. A system of springs is employed to mimic the complex mechanical response of vWF monomers subject to pulling forces. AA2MM was validated by comparing monomer scale simulation results to data from prior pulling experiments on vWF monomer fragments. The model was further validated by comparing multimer scale Brownian dynamics simulation results to experiments using microfluidic chamber microscopy to visualize tethered vWF proteins subject to flow. The A2 domain unfolding reaction was studied in bulk flow simulations (pure shear and elongation flow), giving evidence that elongational flow drives the vWF size regulation process in blood. The mechanoreactive, coarse-grained AA2MM accurately describes the complex mechanical coupling between human blood flow conditions and vWF protein reactivity.

Widespread use of neonicotinoid insecticides in North America has led to frequent detection of neonicotinoids in surface waters. Despite frequent surface water detection, few studies have evaluated underlying sediments for the presence of neonicotinoids. Thus, we sampled water and sediments for neonicotinoids during a one-year period at 40 floodplain wetlands throughout Missouri. Analyzed for six common neonicotinoids, sediment samples consistently (63% of samples) contained neonicotinoids (e.g., imidacloprid and clothianidin) in all sampling periods. Mean sediment and aqueous neonicotinoid concentrations were 1.19 μg kg -1 (range: 0-17.99 μg kg -1 ) and 0.03 μg L -1 (0-0.97 μg L -1 ), respectively. We used boosted regression tree analysis to explain sediment neonicotinoid concentrations and ultimately identified six variables that accounted for 31.6% of concentration variability. Efforts to limit sediment neonicotinoid contamination could include reducing agriculture within a wetland below a threshold of 25% area planted. Also, prolonging periods of overlying water >25 cm deep when water temperatures reach/exceed 18 °C could promote conditions favorable for neonicotinoid degradation. Results of this study can be useful in determining potential routes and levels of neonicotinoid exposure experienced by nontarget benthic aquatic invertebrates as well as potential means to mitigate neonicotinoid concentrations in floodplain wetlands.

We develop a machine learning tool useful for predicting the instantaneous dynamical state of sub-monomer features within long linear polymer chains, as well as extracting the dominant macromolecular motions associated with sub-monomer behaviors of interest. We employ the tool to better understand and predict sub-monomer A2 domain unfolding dynamics occurring amidst the dominant large-scale macromolecular motions of the biopolymer von Willebrand Factor (vWF) immersed in flow. Results of coarse-grained Molecular Dynamics (MD) simulations of non-grafted vWF multimers subject to a shearing flow were used as input variables to a Random Forest Algorithm (RFA). Twenty unique features characterizing macromolecular conformation information of vWF multimers were used for training the RFA. The corresponding responses classify instantaneous A2 domain state as either folded or unfolded, and were directly taken from coarse-grained MD simulations. Three separate RFAs were trained using feature/response data of varying resolution, which provided deep insights into the highly correlated macromolecular dynamics occurring in concert with A2 domain unfolding events. The algorithm is used to analyze results of simulation, but has been developed for use with experimental data as well.

Wildfires are increasing in incidence and severity across coniferous forests of the western United States, leading to changes in forest structure and wildlife habitats. Knowledge of how species respond to fire-driven habitat changes in these landscapes is limited and generally disconnected from our understanding of adaptations that underpin responses to fire.We aimed to investigate drivers of occupancy of a diverse bat community in a fire-altered landscape, while identifying functional traits that underpinned these relationships.We recorded bats acoustically at 83 sites ( n  = 249 recording nights) across the Plumas National Forest in the northern Sierra Nevada over 3 summers (2015-2017). We investigated relationships between fire regime, physiographic variables, forest structure and probability of bat occupancy for nine frequently detected species. We used fourth-corner regression and RLQ analysis to identify ecomorphological traits driving species-environment relationships across 17 bat species. Traits included body mass; call frequency, bandwidth, and duration; and foraging strategy based on vegetation structure (open, edge, or clutter).Relationships between bat traits and fire regime were underpinned by adaptations to diverse forest structure. Bats with traits adapting them to foraging in open habitats, including emitting longer duration and narrow bandwidth calls, were associated with higher severity and more frequent fires, whereas bats with traits consistent with clutter tolerance were negatively associated with fire frequency and burn severity. Relationships between edge-adapted bat species and fire were variable and may be influenced by prey preference or habitat configuration at a landscape scale.Predicted increases in fire frequency and severity in western US coniferous forests are likely to shift dominance in the bat community to open-adapted species and those able to exploit postfire resource pulses (aquatic insects, beetles, and snags). Managing for pyrodiversity within the western United States is likely important for maintaining bat community diversity, as well as diversity of other biotic communities., Competing Interests: None declared.

von Willebrand Factor (vWF) is a large multimeric protein that binds to platelets and collagen in blood clotting. vWF A2 domain hosts a proteolytic site for ADAMTS13 (A Disintegrin and Metalloprotease with a ThromboSpondin type 1 motif, member 13) to regulate the size of vWF multimers. This regulation process is highly sensitive to force conditions and protein-glycan interactions as the process occurs in flowing blood. There are two sites on A2 domain (N1515 and N1574) bearing various N-linked glycan structures. In this study, we used molecular dynamics (MD) simulation to study the force-induced unfolding of A2 domain with and without a single N-linked glycan type on each site. The sequential pullout of β-strands was used to represent a characteristic unfolding sequence of A2. This unfolding sequence varied due to protein-glycan interactions. The force-extension and total energy-extension profiles also show differences in magnitude but similar characteristic shapes between the systems with and without glycans. Systems with N-linked glycans encountered higher energy barriers for full unfolding and even for unfolding up to the point of ADAMTS13 cleavage site exposure. Interestingly, there is not much difference observed for A2 domain structure itself with and without glycans from standard MD simulations, suggesting roles of N-glycans in A2 unfolding through long-ranged protein-glycan interactions.

Expanding populations of North American midcontinent lesser snow geese (Anser caerulescens caerulescens) have potential to alter ecosystems throughout the Arctic and subarctic where they breed. Efforts to understand origins of harvested lesser snow geese to better inform management decisions have traditionally required mark-recapture approaches, while aerial photographic surveys have typically been used to identify breeding distributions. As a potential alternative, isotopic patterns that are metabolically fixed within newly grown flight feathers following summer molting could provide inferences regarding geographic breeding origin of individuals, without the need for prior capture. Our objective was to assess potential to use four stable isotopes (δ13C, δ15N, δ34S, δ2H) from feather material to determine breeding origins. We obtained newly grown flight feathers from individuals during summer banding at three Arctic and two subarctic breeding colonies in 2014 (n = 56) and 2016 (n = 45). We used linear discriminant analyses to predict breeding origins from models using combinations of stable isotopes as predictors and evaluated model accuracy when predicting colony, subregion, or subpopulation levels. We found a strong inverse relationship between δ2H values and increasing latitude (R2 = 0.83), resulting in differences (F4, 51 = 90.41, P < 0.0001) among sampled colonies. No differences in δ13C or δ15N were detected among colonies, although δ34S in Akimiski Island, Baffin Island, and Karrak Lake were more enriched (F4, 51 = 11.25, P < 0.0001). Using δ2H values as a predictor, discriminant analyses improved accuracy in classification level as precision decreased [model accuracy = 67% (colony), 88% (subregion), 94% (subpopulation)]. Application of the isotopic methods we describe could be used to provide an alternative monitoring method of population metrics, such as overall breeding population distribution, region-specific productivity and migratory connectivity that are informative to management decision makers and provide insight into cross-seasonal effects that may influence migratory behavior., Competing Interests: The authors have declared that no competing interests exist.

Neonicotinoid insecticides are currently the fastest-growing and most widely used insecticide class worldwide. Valued for their versatility in application, these insecticides may cause deleterious effects in a range of non-target (beneficial) arthropods. However, it remains unclear whether strong patterns exist in terms of their major effects, if broad measures of arthropod performance are negatively affected, or whether different functional groups are equally vulnerable. Here, we present a meta-analysis of 372 observations from 44 field and laboratory studies that describe neonicotinoid effects on 14 arthropod orders across five broad performance measures: abundance, behavior, condition, reproductive success, and survival. Across studies, neonicotinoids negatively affected all performance metrics evaluated; however, magnitude of the effects varied. Arthropod behavior and survival were the most negatively affected and abundance was the least negatively affected. Effects on arthropod functional groups were inconsistent. Pollinator condition, reproductive success, and survival were significantly lower in neonicotinoid treatments compared to untreated controls; whereas, neonicotinoid effects on detritivores were not significant. Although magnitude of arthropod response to neonicotinoids varied among performance measures and functional groups, we documented a consistent negative relationship between exposure to neonicotinoid insecticides in published studies and beneficial arthropod performance., (© 2018 by the Ecological Society of America.)

Von Willebrand factor (VWF) is a large multimeric protein that aids in blood clotting. Near injury sites, hydrodynamic force from increased blood flow elongates VWF, exposing binding sites for platelets and collagen. To investigate VWF binding to collagen that is exposed on injured arterial surfaces, Brownian dynamics simulations are performed with a coarse-grain molecular model. Accounting for hydrodynamic interactions in the presence of a stationary surface, shear flow conditions are modeled. Binding between beads in coarse-grain VWF and collagen sites on the surface is described via reversible ligand-receptor-type bond formation, which is governed via Bell model kinetics. For conditions in which binding is energetically favored, the model predicts a high probability for binding at low shear conditions; this is counter to experimental observations but in agreement with what prior modeling studies have revealed. To address this discrepancy, an additional binding criterion that depends on the conformation of a submonomer feature in the model local to a given VWF binding site is implemented. The modified model predicts shear-induced binding, in very good agreement with experimental observations; this is true even for conditions in which binding is significantly favored energetically. Biological implications of the model modification are discussed in terms of mechanisms of VWF activity., (Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.)

Background: Migratory waterfowl have often been implicated in the movement of troublesome agronomic and wetland weed species. However, minimal research has been conducted to investigate the dispersal of agronomically important weed species by waterfowl. The two objectives for this project were to determine what weed species are being consumed by ducks and snow geese, and to determine the recovery rate and viability of 13 agronomic weed species after passage through a duck's digestive system., Results: Seed recovered from digestive tracts of 526 ducks and geese harvested during a 2-year field study had 35 020 plants emerge. A greater variety of plant species emerged from ducks each year (47 and 31 species) compared to geese (11 and 3 species). Viable seed from 11 of 13 weed species fed to ducks in a controlled feeding study were recovered. Viability rate and gut retention times indicated potential dispersal up to 2900 km from the source depending on seed characteristics and variability in waterfowl dispersal distances., Conclusions: Study results confirm that waterfowl are consuming seeds from a variety of agronomically important weed species, including Palmer amaranth, which can remain viable after passage through digestive tracts and have potential to be dispersed over long distances by waterfowl. © 2017 Society of Chemical Industry., (© 2017 Society of Chemical Industry.)

Most diurnal birds are presumed visually sensitive to near ultraviolet (UV) wavelengths, however, controlled behavioral studies investigating UV sensitivity remain few. Although woodpeckers are important as primary cavity excavators and nuisance animals, published work on their visual systems is limited. We developed a novel foraging-based behavioral assay designed to test UV sensitivity in the Pileated Woodpecker (Dryocopus pileatus). We acclimated 21 wild-caught woodpeckers to foraging for frozen mealworms within 1.2m sections of peeled cedar (Thuja spp.) poles. We then tested the functional significance of UV cues by placing frozen mealworms behind UV-reflective covers, UV-absorptive covers, or decayed red pine substrates within the same 1.2m poles in independent experiments. Behavioral responses were greater toward both UV-reflective and UV-absorptive substrates in three experiments. Study subjects therefore reliably differentiated and attended to two distinct UV conditions of a foraging substrate. Cue-naïve subjects showed a preference for UV-absorptive substrates, suggesting that woodpeckers may be pre-disposed to foraging from such substrates. Behavioral responses were greater toward decayed pine substrates (UV-reflective) than sound pine substrates suggesting that decayed pine can be a useful foraging cue. The finding that cue-naïve subjects selected UV-absorbing foraging substrates has implications for ecological interactions of woodpeckers with fungi. Woodpeckers transport fungal spores, and communication methods analogous to those of plant-pollinator mutualisms (i.e. UV-absorbing patterns) may have evolved to support woodpecker-fungus mutualisms., (Published by Elsevier Inc.)

Results are presented from molecular dynamics simulations of Pb(l) nanodroplets containing dispersed Cu nanoparticles (NPs) and spreading on solid surfaces. Three-dimensional simulations are employed throughout, but droplet spreading and pinning are reduced to two-dimensional processes by modeling cylindrical NPs in cylindrical droplets; NPs have radius R&#95;{NP}≅3nm while droplets have initial R&#95;{0}≅42nm. At low particle loading explored here, NPs in sufficient proximity to the initial solid-droplet interface are drawn into advancing contact lines; entrained NPs eventually bind with the underlying substrate. For relatively low advancing contact angle θ&#95;{adv}, self-pinning on entrained NPs occurs; for higher θ&#95;{adv}, depinning is observed. Self-pinning and depinning cases are compared and forces on NPs at the contact line are computed during a depinning event. Though significant flow in the droplet occurs in close proximity to the particle during depinning, resultant forces are relatively low. Instead, forces due to liquid atoms confined between the particles and substrate dominate the forces on NPs; that is, for the NP size studied here, forces are interface dominated. For pinning cases, a precursor wetting film advances ahead of the pinned contact line but at a significantly slower rate than for a pure droplet. This is because the precursor film is a bilayer of liquid atoms on the substrate surface but it is instead a monolayer film as it crosses over pinning particles; thus, mass delivery to the bilayer structure is impeded.

The degree to which extrinsic factors influence migration chronology in North American waterfowl has not been quantified, particularly for dabbling ducks. Previous studies have examined waterfowl migration using various methods, however, quantitative approaches to define avian migration chronology over broad spatio-temporal scales are limited, and the implications for using different approaches have not been assessed. We used movement data from 19 female adult mallards (Anas platyrhynchos) equipped with solar-powered global positioning system satellite transmitters to evaluate two individual level approaches for quantifying migration chronology. The first approach defined migration based on individual movements among geopolitical boundaries (state, provincial, international), whereas the second method modeled net displacement as a function of time using nonlinear models. Differences in migration chronologies identified by each of the approaches were examined with analysis of variance. The geopolitical method identified mean autumn migration midpoints at 15 November 2010 and 13 November 2011, whereas the net displacement method identified midpoints at 15 November 2010 and 14 November 2011. The mean midpoints for spring migration were 3 April 2011 and 20 March 2012 using the geopolitical method and 31 March 2011 and 22 March 2012 using the net displacement method. The duration, initiation date, midpoint, and termination date for both autumn and spring migration did not differ between the two individual level approaches. Although we did not detect differences in migration parameters between the different approaches, the net displacement metric offers broad potential to address questions in movement ecology for migrating species. Ultimately, an objective definition of migration chronology will allow researchers to obtain a comprehensive understanding of the extrinsic factors that drive migration at the individual and population levels. As a result, targeted conservation plans can be developed to support planning for habitat management and evaluation of long-term climate effects.

The in situ formation and flow properties of methane hydrates formed from water-in-oil microemulsions composed of water, dodecane, and aerosol OT surfactant (AOT) were studied using a unique high pressure rheometer. AOT microemulsions have high stability (order of months), well-characterized composition, and yield reproducible results compared to hydrate studies in water-in-crude oil emulsions. Viscosity increases on the order of minutes upon hydrate formation, and then decreases on the order of hours. If significant unconverted water remained after the initial formation event, then viscosity increases for a time as methane slowly dissolves and converts additional water to hydrate. In addition to transient formation measurements, yield stresses and flow curves are measured for a set of experimental conditions. Hydrate slurry viscosity and yield stress increase with increasing water volume fraction, increasing initial pressure, decreasing temperature, and decreasing formation shear rate.

We employ Monte Carlo simulation in the semi-grand canonical ensemble to obtain the coarse-grained free energy corresponding to an embedded-atom method description of a binary alloy. In particular, the Ginzburg-Landau free energy for a Cu-Ni alloy was determined from a tabulated histogram of the joint probability density of composition, energy, and volume. Using histogram reweighting techniques, the free energy is extrapolated to a range of points in parameter space from a small number of simulations. The results are interpreted by comparing the free energy with that corresponding to a regular solution model of an alloy. In addition, we obtain expressions for thermodynamic quantities in terms of the joint cumulants of the probability density at a given temperature and chemical potential difference. These expressions may then be likewise extrapolated to obtain the dependence of the composition on the temperature and the chemical potential difference over a wide range of parameter space.

We present a novel setup for a high pressure rheometer operating with concentric cylinders geometry for in situ studies of hydrate formation and rheological characterization. The apparatus uses an external high pressure mixing cell to saturate water-in-oil emulsions with methane gas. The capability of mixing combined with a true rheometer design make this apparatus unique in terms of setup and sample formation. We have used the apparatus to form gas hydrates in situ from water-in-oil emulsions and characterize suspension rheological properties such as yield stress and shear-thinning behavior.

Atomic simulations of the growth of polycrystalline Ni demonstrate that deposited atoms incorporate into the film at boundaries, resulting in compressive stress generation. Incorporated atoms can also leave the boundaries and thus relieve compressive stress. This leads to a complex interplay between growth stress, adatom incorporation, and surface structure. A simple, theoretical model that accounts for grain size effects is proposed and is in good agreement with simulation results.

Controlling the spatial distribution of liquid droplets on surfaces via surface energy patterning can be used to deliver material to specified regions via selective liquid/solid wetting. Although studies of the equilibrium shape of liquid droplets on heterogeneous substrates exist, much less is known about the corresponding wetting kinetics. Here we present large-scale atomistic simulations of liquid nanodroplets spreading on chemically patterned surfaces. Results are presented for lines of polymer liquid (droplets) on substrates consisting of alternating strips of wetting (equilibrium contact angle theta0 = 0 degrees) and nonwetting (theta0 approximately 90 degrees) material. Droplet spreading is compared for different wavelength lambda of the pattern and strength of surface interaction on the wetting strips. For small lambda, droplets partially spread on both the wetting and nonwetting regions of the substrate to attain a finite contact angle less than 90 degrees. In this case, the extent of spreading depends on the interaction strength in the wetting regions. A transition is observed such that, for large lambda, the droplet spreads only on the wetting region of the substrate by pulling material from nonwetting regions. In most cases, a precursor film spreads on the wetting portion of the substrate at a rate strongly dependent on the width of the wetting region.

In this study, we perform molecular dynamics simulations of adhesive contact and friction between alkylsilane Si(OH)(3)(CX(2))(10)CX(3) and alkoxylsilane Si(OH)(2)(CX(2))(10)CX(3) (where X = H or F) self-assembled monolayers (SAMs) on an amorphous silica substrate. The alkylsilane SAMs are primarily hydrogen-bonded or physisorbed to the surface. The alkoxylsilane SAMs are covalently bonded or chemisorbed to the surface. Previously, we studied the chemisorbed systems. In this work, we study the physisorbed systems and compare the tribological properties with the chemisorbed systems. Furthermore, we examine how water at the interface of the SAMs and substrate affects the tribological properties of the physisorbed systems. When less than a third of a monolayer is present, very little difference in the microscopic friction coefficient mu or shear stresses is observed. For increasing amounts of water, the values of mu and the shear stresses decrease; this effect is somewhat more pronounced for fluorocarbon alkylsilane SAMs than for the hydrocarbon SAMs. The observed decrease in friction is a consequence of a slip plane that occurs in the water as the amount of water is increased. We studied the frictional behavior using relative shear velocities ranging from v = 2 cm/s to 2 m/s. Similar to previously reported results for alkoxylsilane SAMs, the values of the measured stress and mu for the alkylsilane SAM systems decrease monotonically with v.

The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from approximately 55,000 to 220,000 atoms and polymer droplets ranging in size from approximately 200,000 to 780 000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as r(2)(f)(t) = 2D(eff)t with an effective diffusion constant that exhibits a droplet-size dependence D(eff) approximately R(1/2)(0). The radius of the main droplet r(b)(t) approximately R(4/5)(0) is in agreement with kinetic models for the cylindrical geometry studied.

Molecular dynamics simulations are used to study the spreading of binary polymer nanodroplets in a cylindrical geometry. The polymers, described by the bead-spring model, spread on a flat surface with a surface-coupled Langevin thermostat to mimic the effects of a corrugated surface. Each droplet consists of chains of length 10 or 100 monomers with approximately 350,000 monomers total. The qualitative features of the spreading dynamics are presented for differences in chain length, surface interaction strength, and composition. When the components of the droplet differ only in the surface interaction strength, the more strongly wetting component forms a monolayer film on the surface even when both materials are above or below the wetting transition. In the case where the only difference is the polymer chain length, the monolayer film beneath the droplet is composed of an equal amount of short chain and long chain monomers even when one component (the shorter chain length) is above the wetting transition and the other is not. The fraction of short and long chains in the precursor foot depends on whether both the short and the long chains are in the wetting regime. Diluting the concentration of the strongly wetting component in a mixture with a weakly wetting component decreases the rate of diffusion of the wetting material from the bulk to the surface and limits the spreading rate of the precursor foot, but the bulk spreading rate actually increases when both components are present. This may be due to the strongly wetting material pushing out the weakly wetting material as it moves toward the precursor foot.

The adhesion and friction between pairs of ordered and disordered self-assembled monolayers on SiO2 are studied using molecular dynamics. The disorder is introduced by randomly removing chains from a well ordered crystalline substrate and by attaching chains to an amorphous substrate. The adhesion force between monolayers at a given separation increases monotonically with chain length at full coverage and with coverage for fixed chain length. Friction simulations are performed at shear velocities between 0.02-2 m/s at constant applied pressures between 200 and 600 MPa. Stick-slip motion is observed at full coverage but disappears with disorder. With random defects, the friction becomes insensitive to chain length, defect density, and substrate.

The spreading of one- and two-component polymer nanodroplets is studied using molecular dynamics simulation in a cylindrical geometry. The droplets consist of polymer chains of length 10, 40, and 100 monomers per chain described by the bead-spring model spreading on a flat surface with a surface-coupled Langevin thermostat. Each droplet contains approximately 350,000 monomers. The dynamics of the individual components of each droplet is analyzed and compared to the dynamics of single-component droplets for the spreading rates of the precursor foot and bulk droplet, the time evolution of the contact angle, and the velocity distribution inside the droplet. We derive spreading models for the cylindrical geometry analogous to the kinetic and hydrodynamic models previously developed for the spherical geometry, and show that hydrodynamic behavior is observed at earlier times for the cylindrical geometry. The contact radius is predicted to scale as r(t) approximately t1/5 from the kinetic model and r (t) approximately t1/7 for the hydrodynamic model in the cylindrical geometry.

Wetting in a system where the kinetics of drop spreading are controlled by the rate of formation of a precursor film is modeled for the first time at the atomistic scale. Molecular dynamics simulations of Pb(l) wetting Cu(111) and Cu(100) show that a precursor film of atomic thickness evolves and spreads diffusively. This precursor film spreads significantly faster on Cu(111) than on Cu(100). For Cu(100), the kinetics of drop spreading are dramatically decreased by slow advancement of the precursor film. Slow precursor film kinetics on Cu(100) are partly due to the formation of a surface alloy at the solid-liquid interface which does not occur on Cu(111).

The spreading of polymer droplets is studied using molecular dynamics simulations. To study the dynamics of both the precursor foot and the bulk droplet, large hemispherical drops of 200 000 monomers are simulated using a bead-spring model for polymers of chain length 10, 20, and 40 monomers per chain. We compare spreading on flat and atomistic surfaces, chain length effects, and different applications of the Langevin and dissipative particle dynamics thermostats. We find diffusive behavior for the precursor foot and good agreement with the molecular kinetic model of droplet spreading using both flat and atomistic surfaces. Despite the large system size and long simulation time relative to previous simulations, we find that even larger systems are required to observe hydrodynamic behavior in the hemispherical spreading droplet.

Molecular dynamics simulations for three embedded atom method (EAM) function sets are used to determine the liquid/vapor surface tension gamma for Al, Ni, Cu, Ag, and Au. The three EAM models differ in both the functional forms employed and the fitting procedure used. All the EAM potentials underestimate gamma but one of the models performs consistently better than the others. We show that including a correction to the local charge density associated with gradients in the density together with exploiting the invariance of the EAM potentials to appropriate transformations in the charge density can lead to improved values for gamma, as well as for solid free surface energies, within existing EAM function sets.